Chem
J-GLOBAL ID：201807020552807155   Nikkaji number：J3.718.689I

1-(4-Methoxyphenyl)-4-[1-(4-methylphenyl)-3-methyl-5-oxo-2-pyrazoline-4-yl]-4-cyano-5-imino-2-pyrroline-2,3-dicarboxylic acid dimethyl ester

1-(4-メトキシフェニル)-4-[1-(4-メチルフェニル)-3-メチル-5-オキソ-2-ピラゾリン-4-イル]-4-シアノ-5-イミノ-2-ピロリン-2,3-ジカルボン酸ジメチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H25N5O6
Molecular formula furigana： C27-H25-N5-O6
Molecular weight： 515.525
InChI： InChI=1S/C27H25N5O6/c1-15-6-8-18(9-7-15)32-23(33)20(16(2)30-32)27(14-28)21(24(34)37-4)22(25(35)38-5)31(26(27)29)17-10-12-19(36-3)13-11-17/h6-13,20,29H,1-5H3
InChI key： RRVVIXVCXSMBMI-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C(=O)OC)C(C#N)(C2C(=NN(C2=O)c2ccc(C)cc2)C)C(=N)N1c1ccc(OC)cc1
Systematic name  (3)：
  • 1-(4-メトキシフェニル)-4-[1-(4-メチルフェニル)-3-メチル-5-オキソ-2-ピラゾリン-4-イル]-4-シアノ-5-イミノ-2-ピロリン-2,3-ジカルボン酸ジメチル
  • 2,3-ジメチル 4-シアノ-5-イミノ-1-(4-メトキシフェニル)-4-[3-メチル-1-(4-メチルフェニル)-5-オキソ-4,5-ジヒドロ-1H-ピラゾール-4-イル]-4,5-ジヒドロ-1H-ピロール-2,3-ジカルボキシラート
  • 2,3-dimethyl 4-cyano-5-imino-1-(4-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Other name (1)：
  • 1-(4-Methoxyphenyl)-4-[1-(4-methylphenyl)-3-methyl-5-oxo-2-pyrazoline-4-yl]-4-cyano-5-imino-2-pyrroline-2,3-dicarboxylic acid dimethyl ester
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